2-(1,3-benzodioxol-5-yl)-6-propan-2-yloxy-4-propylsulfanyl-2H-chromene-3-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-6-propan-2-yloxy-4-propylsulfanyl-2H-chromene-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-6-isopropoxy-4-propylsulfanyl-2H-chromene-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-6-propan-2-yloxy-4-(propylthio)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-6-propan-2-yloxy-4-propylsulfanyl-2H-chromene-3-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-6-isopropoxy-4-(propylthio)-2H-chromene-3-carboxylic acid Formula: C23H24O6S MolecularWeight: 428.49806

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(OC2=C1C=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CCCSC1=C(C(OC2=C1C=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C23H24O6S/c1-4-9-30-22-16-11-15(28-13(2)3)6-8-17(16)29-21(20(22)23(24)25)14-5-7-18-19(10-14)27-12-26-18/h5-8,10-11,13,21H,4,9,12H2,1-3H3,(H,24,25)